6E80

Crystal structure of the Corn aptamer in unliganded state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-10
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	1.10503
Spacegroup name	H 3 2
Unit cell lengths	93.012, 93.012, 66.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.506 - 2.901
R-factor	0.2575
Rwork	0.252
R-free	0.30710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e81
RMSD bond length	0.001
RMSD bond angle	0.292
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.147	0.140	0.455
Rmeas	0.184	0.173	0.644
Rpim	0.109	0.100	0.455
Total number of observations	8472
Number of reflections	3961	219	134
<I/σ(I)>	8.4
Completeness [%]	89.2	89.8	63.5
Redundancy	2.1	2.4	1.3
CC(1/2)		0.938	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	294	20% PEG 4000, 0.2 M ammonium acetate pH 6.7, sodium citrate pH 5.6